[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O7 MolecularWeight: 368.38166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)NCC(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C)C(=O)NCC(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C17H24N2O7/c1-6-25-15-7-12(13(19(22)23)8-14(15)24-5)17(21)26-11(4)16(20)18-9-10(2)3/h7-8,10-11H,6,9H2,1-5H3,(H,18,20)/t11-/m1/s1